Geometry & MOs

Info

ID:

192803

PubChem CID:

78313561

Reduced:

ClN4O4C20H21 (1)

Stoich.:

AB4C4D20E21 (1)

Weight, g/mol:

635.310769

ΔHf, kcal/mol:

-111.01

Dipole, Da:

6.4

IP(EA), eV:

 -9.22(-0.62)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl 4-benzoyl-9-[(1,5-dimethylpyrazol-3-yl)methyl]-3-[(4-methoxyphenyl)methyl]-10-(pyrrolidine-1-carbonyl)-4,9-diazatricyclo[6.3.0.02,6]undeca-1(8),10-diene-3-carboxylate

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)Cl)N2C(=O)CC(NC2=O)N3CCN(CC3)C(=O)C4=CC=CO4

DOS

IR

Vibrations